smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[C@H](COc1ccc2oc3ccc(OC[C@@H](C)C[NH+](C)C)cc3c2c1)C[NH+](C)C	ZINC000039208138	205039883	/nfs/dbraw/zinc/03/98/83/205039883.db2.gz	AMQVBFBITJTPLW-ROUUACIJSA-N	2	0	398.547	4.739	1	0		GJAFRP
CC1=[NH+]c2ccc(Cl)cc2[C@@H](c2cccc(O)c2)N1CC[NH+]1CCCCC1	ZINC000072122740	211071312	/nfs/dbraw/zinc/07/13/12/211071312.db2.gz	HBKDSOFTLPIJDJ-JOCHJYFZSA-N	2	0	383.923	4.986	1	0		GJAFRP
[NH2+]=C(NCCCCC[NH+]1CCCCCCC1)NCC12CC3CC(CC(C3)C1)C2	ZINC000013809088	204514590	/nfs/dbraw/zinc/51/45/90/204514590.db2.gz	NAHNQPLOTRBKBB-UHFFFAOYSA-N	2	0	388.644	4.753	1	0		GJAFRP
C[NH+](C)CCCc1c2ccccc2cnc1C[N@H+](C)[C@H]1CCCc2cccnc21	ZINC000049113091	205127442	/nfs/dbraw/zinc/12/74/42/205127442.db2.gz	NCJXUQPGDDNZEA-DEOSSOPVSA-N	2	0	388.559	4.633	1	0		GJAFRP
CC1=[NH+]c2ccc(Cl)cc2[C@@H](c2ccc(O)cc2)N1CC[NH+]1CCCCC1	ZINC000072124649	205307215	/nfs/dbraw/zinc/30/72/15/205307215.db2.gz	GWFSDJILIFKUIA-JOCHJYFZSA-N	2	0	383.923	4.986	1	0		GJAFRP
Cc1cccc2[nH+]ccc(NCCC[NH2+]CCNc3cc[nH+]c4cccc(C)c34)c12	ZINC000084727359	205399234	/nfs/dbraw/zinc/39/92/34/205399234.db2.gz	DMKMHBWEEBYKFG-UHFFFAOYSA-N	3	0	399.542	4.904	1	0		GJAFRP
c1ccc2c(c1)[nH]c1c[n+](CCC[n+]3ccc4c(c3)[nH]c3ccccc34)ccc12	ZINC000049068439	205125059	/nfs/dbraw/zinc/12/50/59/205125059.db2.gz	UXACSAKKMWLIIJ-UHFFFAOYSA-P	2	0	378.479	4.621	1	0		GJAFRP
C[C@@H]([NH2+]CCCC[NH3+])[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C	ZINC000141872259	205699820	/nfs/dbraw/zinc/69/98/20/205699820.db2.gz	NRWXOVQKADBHNU-OKLGQZCBSA-N	2	0	390.656	4.723	1	0		GJAFRP
CCc1c(C)[nH+]c2c(c1Nc1ccc(N3CC[N@H+](C)[C@@H](C)C3)cc1)CCCC2	ZINC000166689315	536070356	/nfs/dbraw/zinc/07/03/56/536070356.db2.gz	AWRXNUNJSQSZSP-KRWDZBQOSA-N	2	0	378.564	4.715	1	0		GJAFRP
NC(=[NH2+])SCc1ccc(Cl)cc1Oc1ccc(F)cc1CSC(N)=[NH2+]	ZINC000084690222	205398584	/nfs/dbraw/zinc/39/85/84/205398584.db2.gz	VLGRWMXJHXFKOE-UHFFFAOYSA-N	2	0	398.916	4.525	1	0		GJAFRP
Cc1cccc2[nH+]ccc(NCC[NH2+]CCNc3cc[nH+]c4cccc(C)c34)c12	ZINC000084727352	205399285	/nfs/dbraw/zinc/39/92/85/205399285.db2.gz	XDSHXCIJXDDCFC-UHFFFAOYSA-N	3	0	385.515	4.513	1	0		GJAFRP
c1ccc2c(c1)c1cc[n+]2CCCCC[n+]2ccc(c3ccccc32)NCCCN1	ZINC000028365679	204874546	/nfs/dbraw/zinc/87/45/46/204874546.db2.gz	QTXLIUXPLHZAAN-UHFFFAOYSA-P	2	0	398.554	4.666	1	0		GJAFRP
Clc1ccc(C2CC[NH+](CCCOc3ccc4c(c3)CC[NH2+]CC4)CC2)cc1	ZINC000045191084	205092235	/nfs/dbraw/zinc/09/22/35/205092235.db2.gz	UCUBSBJCXHPIEP-UHFFFAOYSA-N	2	0	398.978	4.677	1	0		GJAFRP
Cc1ccc(CSC(N)=[NH2+])c(Sc2ccc(F)cc2CSC(N)=[NH2+])c1	ZINC000084690961	205398965	/nfs/dbraw/zinc/39/89/65/205398965.db2.gz	LIXZFBJVABMLMV-UHFFFAOYSA-N	2	0	394.566	4.539	1	0		GJAFRP
NC(=[NH2+])c1ccc(-c2ccc(-c3ccc(C(N)=[NH2+])cc3)c(C(F)(F)F)c2)cc1	ZINC000036476155	205018090	/nfs/dbraw/zinc/01/80/90/205018090.db2.gz	MHXKWVGYUCUFRR-UHFFFAOYSA-N	2	0	382.389	4.608	1	0		GJAFRP
c1ccc([C@@H]2C[N@@H+]3CCC[C@@H]3c3cc(OCCC[NH+]4CCCCC4)ccc32)nc1	ZINC000028903462	204883076	/nfs/dbraw/zinc/88/30/76/204883076.db2.gz	BDWXFGZMHKOMCV-ILBGXUMGSA-N	2	0	391.559	4.619	1	0		GJAFRP
CN(C)c1cc(N[C@H]2CCC[C@H]([NH2+]Cc3ccsc3)C2)[nH+]c2ccccc21	ZINC000028950899	210538738	/nfs/dbraw/zinc/53/87/38/210538738.db2.gz	JWVGKXLIZNDKOY-ROUUACIJSA-N	2	0	380.561	4.875	1	0		GJAFRP
CCOc1ccc(Cc2nc3cc([N+]#N)ccc3n2CC[NH+](CC)CC)cc1	ZINC000026494870	207314085	/nfs/dbraw/zinc/31/40/85/207314085.db2.gz	MSXQHUDFYMEGJM-UHFFFAOYSA-N	2	0	378.500	4.852	1	0		GJAFRP
NC(=[NH2+])c1ccc2sc(/C=C/c3cc4cc(C(N)=[NH2+])ccc4s3)cc2c1	ZINC000006567352	220942799	/nfs/dbraw/zinc/94/27/99/220942799.db2.gz	BTIGJFRLBZIZPM-ONEGZZNKSA-N	2	0	376.510	4.855	1	0		GJAFRP
Cc1cccc(Cl)c1Nc1nc2ccc(NCC[NH+](C)C)cc2n2c[nH+]cc12	ZINC000013860319	207002399	/nfs/dbraw/zinc/00/23/99/207002399.db2.gz	IUSJMTQHZYUROI-UHFFFAOYSA-N	2	0	394.910	4.561	1	0		GJAFRP
C[n+]1ccc2ccccc2c1Cc1cccc(Cc2c3ccccc3cc[n+]2C)c1	ZINC000028712421	207346829	/nfs/dbraw/zinc/34/68/29/207346829.db2.gz	AHNNVJJDVCCGRU-UHFFFAOYSA-N	2	0	390.530	4.824	1	0		GJAFRP
c1cc([C@@H]2C[N@@H+]3CCC[C@@H]3c3cc(OCCC[NH+]4CCCCC4)ccc32)ccn1	ZINC000028903367	207350993	/nfs/dbraw/zinc/35/09/93/207350993.db2.gz	UYUUPTYHSLMCNS-LOSJGSFVSA-N	2	0	391.559	4.619	1	0		GJAFRP
NC(=[NH2+])c1ccc(Oc2ccc(/C=C/c3cc4cc(C(N)=[NH2+])ccc4o3)cc2)cc1	ZINC000001995706	212261786	/nfs/dbraw/zinc/26/17/86/212261786.db2.gz	LDDCTTPIKQVZJJ-YCRREMRBSA-N	2	0	396.450	4.964	1	0		GJAFRP
c1cncc([C@@H]2C[N@@H+]3CCC[C@@H]3c3cc(OCCC[NH+]4CCCCC4)ccc32)c1	ZINC000028903442	207351843	/nfs/dbraw/zinc/35/18/43/207351843.db2.gz	CAISPEIKDAWTHS-LOSJGSFVSA-N	2	0	391.559	4.619	1	0		GJAFRP
C[NH2+]CCCCCC[N@@H+]1CCc2cc(Cl)c(O)cc2[C@H](c2ccccc2)C1	ZINC000013743911	221286626	/nfs/dbraw/zinc/28/66/26/221286626.db2.gz	VUYOCXNTVLFCAE-NRFANRHFSA-N	2	0	386.967	4.815	1	0		GJAFRP
c1ccc2c(c1)c1cc[n+]2CCCC[n+]2ccc(c3ccccc32)NCCCCN1	ZINC000013813224	207001515	/nfs/dbraw/zinc/00/15/15/207001515.db2.gz	CSGSQQQPXYIAHO-UHFFFAOYSA-P	2	0	398.554	4.666	1	0		GJAFRP
CC1=[NH+]c2ccc(Cl)cc2[C@H](c2ccc(O)cc2)N1CC[NH+]1CCCCC1	ZINC000072124648	222208417	/nfs/dbraw/zinc/20/84/17/222208417.db2.gz	GWFSDJILIFKUIA-QFIPXVFZSA-N	2	0	383.923	4.986	1	0		GJAFRP
Cc1[nH+]c2ccc(F)cc2c(Nc2ccc(N3CC[N@H+](C)[C@@H](C)C3)cc2)c1C	ZINC000169354811	136197310	/nfs/dbraw/zinc/19/73/10/136197310.db2.gz	OGGREUDUNWRXNK-HNNXBMFYSA-N	2	0	378.495	4.875	1	0		GJAFRP
Fc1ccc2[nH]cc(CC[NH+]3CCC4(CC[N@H+](Cc5ccccc5)C4)CC3)c2c1	ZINC000013743416	221287435	/nfs/dbraw/zinc/28/74/35/221287435.db2.gz	INONWLYRSOMOJD-UHFFFAOYSA-N	2	0	391.534	4.838	1	0		GJAFRP